SCHEMBL5514969

SCHEMBL5514969

COc1cc(C)ccc1-c1n[nH]c(=S)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.37
SMPD3 Q9NY59 1/20 0.36
AMY1A P0DUB6 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
PDE2A O00408 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5510771 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL5507827 0.80 ALPL (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL12180262 0.79 MEN1 (0.46) ALDH1A1HPGDSMN1; SMN2LMNAMEN1
SCHEMBL8978590 0.79 DCUN1D1 (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL14345178 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL9938324 0.73 ACHE (0.68) ACHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL8978650 0.71 KDM4E (0.58) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL17280059 0.70 NR1H2 (0.52) ACHEALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL18685133 0.69 ACHE (0.47) ACHEALDH1A1KDM4EHPGDLMNA
SCHEMBL12768570 0.69 KDM4E (0.57) ALDH1A1KDM4EHPGDGAAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8968708-B2 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. (US) 2015-03-03 US disclosed
US-8784782-B2 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. (US) 2014-07-22 US disclosed
US-20130071536-A1 COMPOUNDS COMPRISING LINKED HETEROARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS SENOMYX, INC. (US) 2013-03-21 US disclosed
EP-1850681-A2 COMPOUNDS COMPRISING LINKED HETERO ARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS Senomyx, Inc. (US) 2007-11-07 EP disclosed
US-20060263411-A1 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. 2006-11-23 US disclosed
WO-2006084186-A2 COMPOUNDS COMPRISING LINKED HETERO ARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS SENOMYX, INC. (US) 2006-08-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060263411-A1 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions TAS2R46, TAS2R30, TAS2R50 ACHE 648/4885ALDH1A1 248/4885KDM4E 2906/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.